5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide

C9H12BrNO2S2 — CID 55029070

IUPAC5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)s1)C1CC1
InChIInChI=1S/C9H12BrNO2S2/c1-6(7-2-3-7)11-15(12,13)9-5-4-8(10)14-9/h4-7,11H,2-3H2,1H3
InChIKeyJMZVILSAWVJSEY-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide

5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide (PubChem CID 55029070) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
PubChem CID55029070
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)s1)C1CC1
InChIInChI=1S/C9H12BrNO2S2/c1-6(7-2-3-7)11-15(12,13)9-5-4-8(10)14-9/h4-7,11H,2-3H2,1H3
InChIKeyJMZVILSAWVJSEY-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide
CID 129430939
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
CID 115662596
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide (CID 55029070) is 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Br)s1)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
The InChIKey is JMZVILSAWVJSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-6(7-2-3-7)11-15(12,13)9-5-4-8(10)14-9/h4-7,11H,2-3H2,1H3.
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide?
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55029070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).